BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

182 related articles for article (PubMed ID: 34099962)

  • 1. Druggability of cavity pockets within SARS-CoV-2 spike glycoprotein and pharmacophore-based drug discovery.
    Mohebbi A; Askari FS; Sammak AS; Ebrahimi M; Najafimemar Z
    Future Virol; 2021 May; ():. PubMed ID: 34099962
    [No Abstract]   [Full Text] [Related]  

  • 2. Identification of new pharmacophore against SARS-CoV-2 spike protein by multi-fold computational and biochemical techniques.
    Ullah A; Ullah S; Halim SA; Waqas M; Ali B; Ataya FS; El-Sabbagh NM; Batiha GE; Avula SK; Csuk R; Khan A; Al-Harrasi A
    Sci Rep; 2024 Feb; 14(1):3590. PubMed ID: 38351259
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Digging for the discovery of SARS-CoV-2 nsp12 inhibitors: a pharmacophore-based and molecular dynamics simulation study.
    Askari FS; Ebrahimi M; Parhiz J; Hassanpour M; Mohebbi A; Mirshafiey A
    Future Virol; 2022 Jul; ():. PubMed ID: 35983350
    [No Abstract]   [Full Text] [Related]  

  • 4. Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations.
    Dhameliya TM; Nagar PR; Gajjar ND
    Mol Divers; 2022 Oct; 26(5):2775-2792. PubMed ID: 35132518
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study.
    Sen D; Debnath P; Debnath B; Bhaumik S; Debnath S
    J Biomol Struct Dyn; 2022 Feb; 40(2):941-962. PubMed ID: 32948116
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0.
    Gervasoni S; Vistoli G; Talarico C; Manelfi C; Beccari AR; Studer G; Tauriello G; Waterhouse AM; Schwede T; Pedretti A
    Int J Mol Sci; 2020 Jul; 21(14):. PubMed ID: 32708196
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dual inhibition of COVID-19 spike glycoprotein and main protease 3CLpro by Withanone from
    Patil VS; Hupparage VB; Malgi AP; Deshpande SH; Patil SA; Mallapur SP
    Chin Herb Med; 2021 Jul; 13(3):359-369. PubMed ID: 34188665
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2.
    Pokhrel S; Bouback TA; Samad A; Nur SM; Alam R; Abdullah-Al-Mamun M; Nain Z; Imon RR; Talukder MEK; Tareq MMI; Hossen MS; Karpiński TM; Ahammad F; Qadri I; Rahman MS
    Int J Biol Macromol; 2021 Nov; 191():1114-1125. PubMed ID: 34592225
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2.
    Mishra A; Rathore AS
    Mol Divers; 2022 Oct; 26(5):2613-2629. PubMed ID: 35000060
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Identification of a druggable site on GRP78 at the GRP78-SARS-CoV-2 interface and virtual screening of compounds to disrupt that interface.
    Lazou M; Hutton JR; Chakravarty A; Joseph-McCarthy D
    J Comput Aided Mol Des; 2024 Jan; 38(1):6. PubMed ID: 38263499
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Identification of Four New Chemical Series of Small Drug-Like Natural Products as Potential Neuropilin-1 Inhibitors by Structure-Based Virtual Screening: Pharmacophore-Based Molecular Docking and Dynamics Simulation.
    Sabki A; Khelifi L; Kameli A; Baali S
    Chem Biodivers; 2023 Mar; 20(3):e202200933. PubMed ID: 36799050
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors.
    Thangavel N; Albratty M
    Arab J Chem; 2022 Dec; 15(12):104334. PubMed ID: 36246784
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M
    Elseginy SA
    J Biomol Struct Dyn; 2022; 40(24):13658-13674. PubMed ID: 34676801
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTD.
    Bouback TA; Pokhrel S; Albeshri A; Aljohani AM; Samad A; Alam R; Hossen MS; Al-Ghamdi K; Talukder MEK; Ahammad F; Qadri I; Simal-Gandara J
    Molecules; 2021 Aug; 26(16):. PubMed ID: 34443556
    [TBL] [Abstract][Full Text] [Related]  

  • 15. CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.
    Xu Y; Wang S; Hu Q; Gao S; Ma X; Zhang W; Shen Y; Chen F; Lai L; Pei J
    Nucleic Acids Res; 2018 Jul; 46(W1):W374-W379. PubMed ID: 29750256
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Phytoconstituents from Moringa oleifera fruits target ACE2 and open spike glycoprotein to combat SARS-CoV-2: An integrative phytochemical and computational approach.
    Siddiqui S; Ahmad R; Alaidarous M; Zia Q; Ahmad Mir S; Alshehri B; Srivastava A; Trivedi A
    J Food Biochem; 2022 May; 46(5):e14062. PubMed ID: 35043973
    [TBL] [Abstract][Full Text] [Related]  

  • 17. De novo design of novel spike glycoprotein inhibitors using e-pharmacophore modeling, molecular hybridization, ADMET, quantum mechanics and molecular dynamics studies for COVID-19.
    A Alzain A; Ismail A; Fadlelmola M; A Mohamed M; Mahjoub M; A Makki A; Elsaman T
    Pak J Pharm Sci; 2022 Jan; 35(1(Supplementary)):313-321. PubMed ID: 35228193
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
    Rehman HM; Sajjad M; Ali MA; Gul R; Naveed M; Aslam MS; Shinwari K; Bhinder MA; Ghani MU; Saleem M; Rather MA; Ahmad I; Amin A
    Int J Biol Macromol; 2023 May; 237():124169. PubMed ID: 36990409
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Unlocking COVID therapeutic targets: A structure-based rationale against SARS-CoV-2, SARS-CoV and MERS-CoV Spike.
    Trigueiro-Louro J; Correia V; Figueiredo-Nunes I; Gíria M; Rebelo-de-Andrade H
    Comput Struct Biotechnol J; 2020; 18():2117-2131. PubMed ID: 32913581
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Multidisciplinary Approaches Identify Compounds that Bind to Human ACE2 or SARS-CoV-2 Spike Protein as Candidates to Block SARS-CoV-2-ACE2 Receptor Interactions.
    Day CJ; Bailly B; Guillon P; Dirr L; Jen FE; Spillings BL; Mak J; von Itzstein M; Haselhorst T; Jennings MP
    mBio; 2021 Mar; 12(2):. PubMed ID: 33785634
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.